1,1,2,2,3,3,4,5,5,6,6,7,7,8-tetradecafluoro-4,8-dimethylcyclooctane

• ChemBase编号: 98584
• 分子式: C10H6F14
• 平均质量: 392.1322848
• 单一同位素质量: 392.02459527
• SMILES: FC1(C)C(C(C(C(C(F)(F)C(C1(F)F)(F)F)(F)C)(F)F)(F)F)(F)F
• Canonical SMILES: CC1(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(C1(F)F)(F)F)(F)F)(C)F
• InChI: InChI=1S/C10H6F14/c1-3(11)5(13,14)9(21,22)7(17,18)4(2,12)8(19,20)10(23,24)6(3,15)16/h1-2H3
• InChIKey: ABYARYWWHVMEOC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,5,5,6,6,7,7,8-tetradecafluoro-4,8-dimethylcyclooctane
• IUPAC传统名: 1,1,2,2,3,3,4,5,5,6,6,7,7,8-tetradecafluoro-4,8-dimethylcyclooctane
• 别名: 1,5-(Dimethyl)perfluorocyclooctane

登记号

• PubChem SID: 162105155
• PubChem CID: 45933686

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.2865233
• LogD (pH = 7.4): 5.2865233
• Log P: 5.2865233
• 摩尔折射率: 45.8252 cm^3
• 极化性: 18.140272 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant